2H-pyran-4-ylmethanamine

C6H9NO — CID 23344150

IUPAC2H-pyran-4-ylmethanamine
SMILESNCC1=CCOC=C1
InChIInChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h1-3H,4-5,7H2
InChIKeyKAZBMIUIXIRKOQ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.42
Rot. Bonds1

About 2H-pyran-4-ylmethanamine

2H-pyran-4-ylmethanamine (PubChem CID 23344150) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2H-pyran-4-ylmethanamine.

Molecular Properties

Compound Name2H-pyran-4-ylmethanamine
PubChem CID23344150
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2H-pyran-4-ylmethanamine
SMILESNCC1=CCOC=C1
InChIInChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h1-3H,4-5,7H2
InChIKeyKAZBMIUIXIRKOQ-UHFFFAOYSA-N
XLogP0.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-4-ylmethanamine?
The IUPAC name of 2H-pyran-4-ylmethanamine (CID 23344150) is 2H-pyran-4-ylmethanamine.
What is the SMILES notation for 2H-pyran-4-ylmethanamine?
The canonical SMILES for 2H-pyran-4-ylmethanamine is NCC1=CCOC=C1.
What is the InChIKey of 2H-pyran-4-ylmethanamine?
The InChIKey is KAZBMIUIXIRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h1-3H,4-5,7H2.
What are the key properties of 2H-pyran-4-ylmethanamine?
2H-pyran-4-ylmethanamine has a molecular weight of 111.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-4-ylmethanamine is sourced from PubChem (CID 23344150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).